2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide

C17H19N3O2 — CID 39964120

IUPAC2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C17H19N3O2/c1-12(15-7-9-18-10-8-15)19-17(22)11-14-3-5-16(6-4-14)20-13(2)21/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyRCSFGEDRGIMDNH-GFCCVEGCSA-N
MW297.36 g/mol
LogP2.46
Rot. Bonds5

About 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide

2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide (PubChem CID 39964120) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
PubChem CID39964120
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccncc2)cc1
InChIInChI=1S/C17H19N3O2/c1-12(15-7-9-18-10-8-15)19-17(22)11-14-3-5-16(6-4-14)20-13(2)21/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyRCSFGEDRGIMDNH-GFCCVEGCSA-N
XLogP2.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
2-[4-(aminomethyl)phenyl]-N-(1-pyridin-4-ylethyl)acetamide
CID 63590307
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
2-(4-acetamidophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856024
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
2-(4-carbamothioylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 63590706
2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 51410979
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9482244
N-[1-(3-acetamidophenyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 46598816
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60612014
2-(4-acetamidophenyl)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]acetamide
CID 94024335

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide (CID 39964120) is 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide is CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccncc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is RCSFGEDRGIMDNH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(15-7-9-18-10-8-15)19-17(22)11-14-3-5-16(6-4-14)20-13(2)21/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide?
2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 39964120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).